SCHEMBL8308842

SCHEMBL8308842

COC(=O)NC1CCc2ccc(Cl)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.56
MTNR1B P49286 6/20 0.56
CA1 P00915 7/20 0.53
CA2 P00918 7/20 0.53
ACHE P22303 6/20 0.53
APOB P04114 2/20 0.49
MTTP P55157 2/20 0.49
HDAC8 Q9BY41 3/20 0.45
ADRB3 P13945 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29958397 0.77 MAPT (0.43) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL27033455 0.77 MAPT (0.43) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL30267146 0.76 EPHX2 (0.50) CA1CA2APOBMTTPCA12
SCHEMBL31324550 0.76 EPHX2 (0.50) CA1CA2APOBMTTPCA12
SCHEMBL30748079 0.76 EPHX2 (0.50) CA1CA2APOBMTTPCA12
SCHEMBL28926914 0.76 EPHX2 (0.50) CA1CA2APOBMTTPCA12
SCHEMBL5677299 0.76 CA1 (0.64) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9136687 0.76 CA1 (0.64) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL5722246 0.76 CA1 (0.64) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9368888 0.75 MTNR1A (0.48) MTNR1AMTNR1BCA1CA2ACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579059-B1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-12 EP disclosed
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed